General Information of the Compound
| Compound ID |
CP0960327
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| Compound Name |
ethyl 5-(1-(3-benzamido-3-methylbutanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl)-2-chlorobenzoate
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| Structure |
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| Formula |
C28H35ClN2O5
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| Molecular Weight |
515.05
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| Canonical SMILES |
CCOC(=O)c1cc(C2(O)CCN(C(=O)CC(C)(C)NC(=O)c3ccccc3)CC2(C)C)ccc1Cl
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| InChI |
InChI=1S/C28H35ClN2O5/c1-6-36-25(34)21-16-20(12-13-22(21)29)28(35)14-15-31(18-26(28,2)3)23(32)17-27(4,5)30-24(33)19-10-8-7-9-11-19/h7-13,16,35H,6,14-15,17-18H2,1-5H3,(H,30,33)
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| InChIKey |
IGVDGSALNPGXSP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound